Reactive transport is a highly non-linear problem requiring the most efficient algorithms to rapidly reach an accurate solution. The non-linearities are increased and the resolution is even more demanding and CPU-intensive when considering feedback of dissolution or precipitation reactions on hydrodynamic flow and transport, commonly referred to as the variable porosity case. This is particularly true near clogging, which leads to very stiff systems and therefore small time-steps. The operator-splitting approach often cited is a widely use method to solve these problems: it consists in solving sequentially the transport then the chemistry part of the problem. Operator-splitting appears to be an accurate approach, provided that the solution is iteratively improved at each time-step. The paper details analytical solutions and test-cases for this class of problems. They demonstrate that iterative improvement is then compulsory. They also helped develop an improved estimator/corrector method which allows to reach convergence faster and to reduce stiffness. The efficiency improvement is significant as illustrated by an example of carbonation of a cement paste, a well-known problem that leads to complete clogging of the interface layer.
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http://dx.doi.org/10.1016/j.jconhyd.2009.11.005 | DOI Listing |
Aquat Toxicol
January 2025
Center for the Development of Functional Materials (CDMF), Universidade Federal de São Carlos (UFSCar), Rodovia Washington Luís, Km 235 13565-905, São Carlos, SP, Brazil.
The semiconductor copper tungstate (CuWO) may end up in aquatic ecosystems since it has the potential for water decontamination. The toxic effects of CuWO are totally unknown for eukaryotic organisms. In view of this, we aimed to evaluate the toxicity of CuWO particles (size of 161.
View Article and Find Full Text PDFAntioxid Redox Signal
January 2025
Department of Pharmacology, Yong Loo Lin School of Medicine, National University of Singapore, Singapore, Singapore.
Growing evidence indicates the importance of redox reactions homeostasis, mediated predominantly by reactive oxygen species (ROS) in influencing the development, differentiation, progression, metastasis, programmed cell death, tumor microenvironment, and therapeutic resistance of cancer. Therefore, reviewing the ROS-linked epigenetic changes in cancer is fundamental to understanding the progression and prevention of cancer. We review in depth the molecular mechanisms involved in ROS-mediated epigenetic changes that lead to alteration of gene expression by altering DNA, modifying histones, and remodeling chromatin and noncoding RNA.
View Article and Find Full Text PDFEnviron Sci Technol
January 2025
Key Laboratory of Geographic Information Science (Ministry of Education), School of Geographic Sciences, East China Normal University, Shanghai 200241, China.
Mercury (Hg) is a neurotoxic pollutant that is ubiquitous on the planet and receives global concern because of its adverse health effects. Particle-bound Hg formation in the atmosphere stems mainly from the adsorption of reactive gaseous Hg on aerosol particles, particularly sea salt aerosol. However, the observed comparable abundance of Hg over Hg in the marine atmosphere has not been reproduced by traditional statistics-based schemes, which were constructed by continental observations.
View Article and Find Full Text PDFJ Agric Food Chem
January 2025
Hubei Three Gorges Laboratory, Yichang 443000, China.
Nano-TiO as an antimicrobial inorganic material, can stimulate cells to produce reactive oxygen species and exhibit effective biochemical properties; however, phenylpyrazole derivatives, as organic pesticides, are widely used in agriculture and food. To find novel pesticides with environmental friendliness, combined with three-dimensional quantitative structure-activity relationship (3D-QSAR) prediction analysis, three types of alkaloidal phenylpyrazole amine derivatives (PA) were synthesized by a one-pot microwave method. Based on the dye sensitization strategy, four nano-organometallic pesticides (PT) were prepared by organic-inorganic hybridization.
View Article and Find Full Text PDFSci Adv
January 2025
Center for Microbiome Research of Med-X Institute, Shaanxi Provincial Key Laboratory of Sepsis in Critical Care Medicine, The First Affiliated Hospital, Xi'an Jiaotong University, Xi'an 710061, China.
The rare metal element molybdenum functions as a cofactor in molybdoenzymes that are essential to life in almost all living things. Molybdate can be captured by the periplasmic substrate-binding protein ModA of ModABC transport system in bacteria. We demonstrate that ModA plays crucial roles in growth, multiple metabolic pathways, and ROS tolerance in .
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